CID 32100

4-hydroxy-1-phenethylpiperidine-4-carbonitrile

Structural Information

Molecular Formula
C14H18N2O
SMILES
C1CN(CCC1(C#N)O)CCC2=CC=CC=C2
InChI
InChI=1S/C14H18N2O/c15-12-14(17)7-10-16(11-8-14)9-6-13-4-2-1-3-5-13/h1-5,17H,6-11H2
InChIKey
XIUVZQCJSZGEJF-UHFFFAOYSA-N
Compound name
4-hydroxy-1-(2-phenylethyl)piperidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

230.1419 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.149176 153.8
[M+Na]+ 253.131118 161.7
[M-H]- 229.134624 156.2
[M+NH4]+ 248.175723 169.5
[M+K]+ 269.105058 155.7
[M+H-H2O]+ 213.139160 140.0
[M+HCOO]- 275.140101 168.3
[M+CH3COO]- 289.155751 198.6
[M+Na-2H]- 251.116566 158.4
[M]+ 230.14135142 144.7
[M]- 230.14244858 144.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe